作者
Lennart Eriksson, Joanna Jaworska, Andrew P Worth, Mark TD Cronin, Robert M McDowell, Paola Gramatica
发表日期
2003/8
来源
Environmental health perspectives
卷号
111
期号
10
页码范围
1361-1375
简介
This article provides an overview of methods for reliability assessment of quantitative structure-activity relationship (QSAR) models in the context of regulatory acceptance of human health and environmental QSARs. Useful diagnostic tools and data analytical approaches are highlighted and exemplified. Particular emphasis is given to the question of how to define the applicability borders of a QSAR and how to estimate parameter and prediction uncertainty. The article ends with a discussion regarding QSAR acceptability criteria. This discussion contains a list of recommended acceptability criteria, and we give reference values for important QSAR performance statistics. Finally, we emphasize that rigorous and independent validation of QSARs is an essential step toward their regulatory acceptance and implementation.
引用总数
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